CID 3075495

1h-indole-2-carboxylic acid, 3-(2-oxo-2-((2-(4-phenyl-1-piperazinyl)ethyl)amino)ethyl)-

Structural Information

Molecular Formula
C23H26N4O3
SMILES
C1CN(CCN1CCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4O3/c28-21(16-19-18-8-4-5-9-20(18)25-22(19)23(29)30)24-10-11-26-12-14-27(15-13-26)17-6-2-1-3-7-17/h1-9,25H,10-16H2,(H,24,28)(H,29,30)
InChIKey
GIRADLKYUOLESM-UHFFFAOYSA-N
Compound name
3-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 198.4
[M+Na]+ 429.18972 209.5
[M+NH4]+ 424.23432 203.3
[M+K]+ 445.16366 205.1
[M-H]- 405.19322 201.5
[M+Na-2H]- 427.17517 203.9
[M]+ 406.19995 200.5
[M]- 406.20105 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.